Diisobutyl ketone(DIBK) - ≥98%, mixture of isomers , CAS No.108-83-8

CAS: 108-83-8 Cat. No.: D616294 Summenformel: C₉H₁₈O Molekulargewicht: 142.24 Beilstein Registry Number: 1743163 EG-Nummer: 203-620-1

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

2,6-Dimethyl-4-heptanone|2,6-Dimethylheptan-4-one|108-83-8|DIISOBUTYL KETONE|Isovalerone|Diisobutylketone|Isobutyl ketone|Valerone|Diisobutilchetone|s-Diisopropylacetone|Di-isobutylcetone|DIBK|4-Heptanone, 2,6-dimethyl-|Diisobutylketon|sym-Diisopropylacet

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

2,6-Dimethyl-4-heptanone | 2,6-Dimethylheptan-4-one | 108-83-8 | DIISOBUTYL KETONE | Isovalerone | Diisobutylketone | Isobutyl ketone | Valerone | Diisobutilchetone | s-Diisopropylacetone | Di-isobutylcetone | DIBK | 4-Heptanone, 2,6-dimethyl- | Diisobutylketon | sym-Diisopropylacet

Spezifikationen & Reinheit

≥98%, mixture of isomers

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751527

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751527

Kanonisches Lächeln

CC(C)CC(=O)CC(C)C

IUPAC Name

2,6-dimethylheptan-4-one

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

INCHI

1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

Isomere SMILES

CC(C)CC(=O)CC(C)C

WGK Deutschland

1

UN-Nummer

1157

Verpackungsgruppe

III

Molekulargewicht

142.24

Beilstein

1743163

Reaxy-Rn

1743163

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743163&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• Brechungsindex: 1.412
• Flammpunkt (°F): 120.2 °F
• Flammpunkt (°C): 49 °C
• Siedepunkt (°C): 165-170°C
• Schmelzpunkt (°C): -46.4°C
• Molekulargewicht: 142.240 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 108-83-8, the molecular formula is C9H18O, and the molecular weight is 142.24 g/mol. InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.